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CHEBI:142659 - (S)-nicotine N1'-oxide

ChEBI IDCHEBI:142659
ChEBI Name(S)-nicotine N1'-oxide
Stars
ASCII Name(S)-nicotine N(1')-oxide
DefinitionA nicotine N1'-oxide resulting from the oxidation of the pyrrolidine nitrogen of (S)-nicotine; major species at pH 7.3.
Last Modified7 December 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H14N2O
Net Charge0
Average Mass178.235
Monoisotopic Mass178.11061
SMILES[H][C@@]1(c2cccnc2)CCC[N+]1(C)[O-]
InChIInChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12?/m0/s1
InChIKeyRWFBQHICRCUQJJ-NUHJPDEHSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-nicotine N1'-oxide (CHEBI:142659) has functional parent (S)-nicotine (CHEBI:17688)
(S)-nicotine N1'-oxide (CHEBI:142659) is a nicotine N1'-oxide (CHEBI:30734)
Incoming Relation(s)
cis-(S)-nicotine N1'-oxide (CHEBI:142661) is a (S)-nicotine N1'-oxide (CHEBI:142659)
trans-(S)-nicotine N1'-oxide (CHEBI:142660) is a (S)-nicotine N1'-oxide (CHEBI:142659)
IUPAC Name 
3-[(2S)-1-methyl-1-oxidopyrrolidin-2-yl]pyridine
Synonyms  Source
NOXSUBMITTER
oxynicotineChemIDplus
nicotine-N'-oxideChemIDplus
nicotine N'-oxideChEBI
nicotine-1'-N-oxideChemIDplus
N-oxynicotineChemIDplus
UniProt Name  Source
(S)-nicotine N1'-oxideUniProt
Registry NumbersSources
CAS:491-26-9ChemIDplus
Citations